1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene

C22H18ClF — CID 21052449

IUPAC1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene
SMILESFC(Cc1ccc(/C=C/c2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C22H18ClF/c23-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(24)20-4-2-1-3-5-20/h1-15,22H,16H2/b7-6+
InChIKeyJFIAMVIIXURISS-VOTSOKGWSA-N
MW336.84 g/mol
LogP6.76
Rot. Bonds5

About 1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene

1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene (PubChem CID 21052449) has the molecular formula C22H18ClF and a molecular weight of 336.84 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene
PubChem CID21052449
Molecular FormulaC22H18ClF
Molecular Weight336.84 g/mol
Exact Mass336.11
IUPAC Name1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene
SMILESFC(Cc1ccc(/C=C/c2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C22H18ClF/c23-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(24)20-4-2-1-3-5-20/h1-15,22H,16H2/b7-6+
InChIKeyJFIAMVIIXURISS-VOTSOKGWSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.84
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698674
2-fluoro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]-1-propylbenzene
CID 21052814
2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene
CID 58698955
4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene
CID 71103035
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052595
1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene
CID 58698949
1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene
CID 58698898
2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-pent-3-enylphenyl)ethenyl]benzene
CID 91484905
1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052475
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 58698513

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene (CID 21052449) is 1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene is FC(Cc1ccc(/C=C/c2ccc(Cl)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene?
The InChIKey is JFIAMVIIXURISS-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H18ClF/c23-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(24)20-4-2-1-3-5-20/h1-15,22H,16H2/b7-6+.
What are the key properties of 1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene?
1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene has a molecular weight of 336.84 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 21052449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).